Structure of PDB 1uzi Chain B Binding Site BS01

Receptor Information

>1uzi Chain B (length=211) Species: 1491 (Clostridium botulinum)

AYSNTYQEFTNIDQAKAWGNAQYKKYGLSKSEKEAIVSYTKSASEINGKL
RQNKGVINGFPSNLIKQVELLDKSFNKMKTPENIMLFRGDDPAYLGTEFQ
NTLLNSNGTINKTAFEKAKAKFLNKDRLEYGYISTSLMNVSQFAGRPIIT
KFKVAKGSKAGYIDPISAFAGQLEMLLPRHSTYHIDDMRLSSDGKQIIIT
ATMMGTAINPK

Ligand information

• Ligand ID: V4O
• InChI: InChI=1S/12O.4V/q;;;;;;;;4*-1;;;;
• InChIKey: ACTPEXQBEHJTBO-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.7.2: [O-][V]1(=O)O[V](=O)(O[V](=O)(O[V](=O)(O1)[O-])[O-])[O-]
  CACTVS 3.370: [O-][V]1(=O)O[V]([O-])(=O)O[V]([O-])(=O)O[V]([O-])(=O)O1
• Formula: O12 V4
• Name: CYCLO-TETRAMETAVANADATE
• DrugBank: DB02147
• PDB chain: 1uzi Chain A Residue 1001

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1uzi C3 Exoenzyme from Clostridium Botulinum: Structure of a Tetragonal Crystal Form and a Reassessment of Nad-Induced Flexure
• Resolution: 1.89 Å
• Binding residue (original residue number in PDB): N145 N151 K152
• Binding residue (residue number reindexed from 1): N105 N111 K112
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): S174 E214
• Catalytic site (residue number reindexed from 1): S134 E174
• Enzyme Commision number: 2.4.2.-

Gene Ontology

Molecular Function

• GO:0016757 glycosyltransferase activity
• GO:0016763 pentosyltransferase activity
• GO:0016779 nucleotidyltransferase activity
• GO:1990404 NAD+-protein ADP-ribosyltransferase activity

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:1uzi, PDBe:1uzi, PDBj:1uzi
• PDBsum: 1uzi
• PubMed: 15272191
• UniProt: P15879|ARC3_CBDP Mono-ADP-ribosyltransferase C3 (Gene Name=C3)